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Formulas and numerical table for the radial part of overlap integrals with the same screening parameters of Slater-type orbitals
Authors:E Öztekin  M Yavuz  S Atalay
Institution:(1) Department of Physics, Faculty of Arts and Sciences, Ondokuz Mayis University, Kurupelit, 55139 Samsun, Turkey, TR
Abstract: The numerical properties of the radial part of overlap integrals with the same screening parameters in the form of polynomials in p = ξR over Slater-type orbitals have been studied and obtained by using three different methods. For that purpose, the characteristics of auxiliary functions were used first, then Fourier transform convolution theorem, and recurrence relations for the basic coefficients of A s n l λ, n l ′λ were used. The calculations of the radial part of overlap integrals with the same screening parameters were made in the range 1 ≤ n ≤ 75, 1 ≤ n′ ≤ 75, and 10−6 ≤ p. Received: 18 January 2001 / Accepted: 5 April 2001 / Published online: 27 June 2001
Keywords::   The radial parts of overlap integrals with the same screening parameters –  Gegenbauer coefficients –  Recursion          relations
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